Drug General Information
Drug ID
D0T5MD
Former ID
DNC008960
Drug Name
Isosorbide-2-benzylcarbamate-5-cyclopropanoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529716]
Structure
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2D MOL

3D MOL

Formula
C18H21NO6
Canonical SMILES
C1CC1C(=O)OC2COC3C2OCC3OC(=O)NCC4=CC=CC=C4
InChI
1S/C18H21NO6/c20-17(12-6-7-12)24-13-9-22-16-14(10-23-15(13)16)25-18(21)19-8-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2,(H,19,21)/t13-,14+,15-,16-/m1/s1
InChIKey
FEYSXVBUKKSWGH-QKPAOTATSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529716]
Cholinesterase Target Info Inhibitor [529716]
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapse
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer PathwayWP229:Irinotecan Pathway
References
Ref 529716J Med Chem. 2008 Oct 23;51(20):6400-9. Epub 2008 Sep 26.Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors.
Ref 529716J Med Chem. 2008 Oct 23;51(20):6400-9. Epub 2008 Sep 26.Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors.

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